>compound Cerulenin_Cerulenin
#instrument UPLC Q-Tof Premier, Waters
>formula C12H17NO3
#smiles CC=CCC=CCCC(=O)[C@@H](O1)[C@H](C(N)=O)1
#RECORD LC-ESI-QTOF_train_data/PR100440.txt
>charge 1
>ionization [M+H]+
>parentmass 224.12864

>collision 5-60
192.0581 153.8
207.0937 53.97
208.0936 345.5
224.1286 67.89

